Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14)
SMILES O=C1NC(c2c1cccc2)(O)c1cccs1
InChI Key PAQPBFVHEFHJEO-UHFFFAOYSA-N
Molecular Formula C12H9NO2S
Exact Mass 231.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PAQPBFVHEFHJEO-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/PAQPBFVHEFHJEO-UHFFFAOYSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • 3-hydroxy-3-thiophen-2-yl-2H-isoindol-1-one
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135030595 PubChem
    The data in this table is sourced from UniChem at EBI.